3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C11H19N3O2 — CID 102655530

IUPAC3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(COC2(C)CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)6-15-11(2)7-12-8-11/h12H,3-8H2,1-2H3
InChIKeyDDLLHERMEMVKJO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds6

About 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655530) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655530
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(COC2(C)CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)6-15-11(2)7-12-8-11/h12H,3-8H2,1-2H3
InChIKeyDDLLHERMEMVKJO-UHFFFAOYSA-N
XLogP1.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477
4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655400
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655427
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103473115
3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655449
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 102655585
3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655502
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655530) is 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CCCCc1noc(COC2(C)CNC2)n1.
What is the InChIKey of 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is DDLLHERMEMVKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)6-15-11(2)7-12-8-11/h12H,3-8H2,1-2H3.
What are the key properties of 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).